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42059-58-5,MFCD01548049
Catalog No.:AA00C5Z1

42059-58-5 | (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid

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Quantity
  
1g
95%
in stock  
$81.00   $57.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00C5Z1
Chemical Name:
(2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid
CAS Number:
42059-58-5
Molecular Formula:
C12H8O4
Molecular Weight:
216.1895
MDL Number:
MFCD01548049
SMILES:
OC(=O)/C=C/c1coc2c(c1=O)cccc2
Properties
Computed Properties
 
Complexity:
367  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:42059-58-5 Molecular Formula|42059-58-5 MDL|42059-58-5 SMILES|42059-58-5 (2E)-3-(4-oxo-4H-chromen-3-yl)prop-2-enoic acid